diethyl 2-methyl-2-(4-pyridin-3-ylcarbonylphenyl)propanedioate

Systemtic Name: diethyl 2-methyl-2-(4-pyridin-3-ylcarbonylphenyl)propanedioate Openeye Name: diethyl 2-methyl-2-[4-(pyridine-3-carbonyl)phenyl]propanedioate CAS Name: 2-methyl-2-[4-[oxo(3-pyridinyl)methyl]phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-[4-(pyridine-3-carbonyl)phenyl]propanedioate Traditional Name: 2-methyl-2-(4-nicotinoylphenyl)malonic acid diethyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC=C(C=C1)C(=O)C2=CN=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C1=CC=C(C=C1)C(=O)C2=CN=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H21NO5/c1-4-25-18(23)20(3,19(24)26-5-2)16-10-8-14(9-11-16)17(22)15-7-6-12-21-13-15/h6-13H,4-5H2,1-3H3